SCHEMBL690660

SCHEMBL690660

COc1c(C[S+](C)[O-])cc(C(C)(C)C)cc1NC(=O)Oc1cc2cccc(CN3CCN(C(=O)[C@@H]4CCCN4C)CC3)c2n1C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 3/20 0.34
EPHX2 P34913 1/20 0.33
SSTR5 P35346 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
DHODH Q02127 2/20 0.31
LYN P07948 1/20 0.31
MAPK9 P45984 1/20 0.31
TSHR P16473 1/20 0.30
GSK3A P49840 1/20 0.30
MAPK14 Q16539 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
RORC P51449 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL689756 0.92 EPHX2 (0.34) ACKR3EPHX2SSTR5KDM4EALDH1A1
SCHEMBL690221 0.92 ACKR3 (0.36) ACKR3EPHX2SSTR5KDM4EALDH1A1
SCHEMBL688611 0.92 ACKR3 (0.37) ACKR3EPHX2SSTR5KDM4EALDH1A1
SCHEMBL688681 0.91 ACKR3 (0.37) ACKR3EPHX2SSTR5KDM4EALDH1A1
SCHEMBL690441 0.90 ACKR3 (0.35) ACKR3EPHX2SSTR5KDM4EALDH1A1
SCHEMBL690851 0.90 EPHX2 (0.35) ACKR3EPHX2SSTR5KDM4EALDH1A1
SCHEMBL689757 0.89 ACKR3 (0.35) ACKR3EPHX2SSTR5ALDH1A1DHODH
SCHEMBL689851 0.89 EPHX2 (0.35) ACKR3EPHX2SSTR5KDM4EALDH1A1
SCHEMBL689257 0.89 ACKR3 (0.36) ACKR3EPHX2SSTR5KDM4EALDH1A1
SCHEMBL689541 0.89 EPHX2 (0.36) ACKR3EPHX2SSTR5KDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2323980-B1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2012-02-29 EP claimed
EP-2323980-A1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2011-05-25 EP claimed
WO-2010026096-A1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO claimed
EP-2323980-B1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2012-02-29 EP disclosed
EP-2323980-A1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2011-05-25 EP disclosed
WO-2010026096-A1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO disclosed